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3-[1-Phenyl-3-ethoxycarbonyl-5-methyl-1H-pyrazole-4-carbonyl][1,2,4]triazino[4,3-a]benzimidazole
SpectraBase Compound ID 9TtiYLL935i
InChI InChI=1S/C23H18N6O3/c1-3-32-22(31)20-19(14(2)29(27-20)15-9-5-4-6-10-15)21(30)17-13-28-18-12-8-7-11-16(18)24-23(28)26-25-17/h4-13H,3H2,1-2H3
InChIKey JVEIEPYNXIIHPG-UHFFFAOYSA-N
Mol Weight 426.44 g/mol
Molecular Formula C23H18N6O3
Exact Mass 426.144038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMJ3Izw6awm
Name 3-[1-Phenyl-3-ethoxycarbonyl-5-methyl-1H-pyrazole-4-carbonyl][1,2,4]triazino[4,3-a]benzimidazole
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18N6O3
InChI InChI=1S/C23H18N6O3/c1-3-32-22(31)20-19(14(2)29(27-20)15-9-5-4-6-10-15)21(30)17-13-28-18-12-8-7-11-16(18)24-23(28)26-25-17/h4-13H,3H2,1-2H3
InChIKey JVEIEPYNXIIHPG-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 426.436 g/mol
SMILES c1(n[n](c(c1C(=O)C=1N=Nc2[n](C1)c1c(n2)cccc1)C)-c1ccccc1)C(OCC)=O
SPLASH splash10-004i-9260300000-962e9eb8bfc3948f7fea
Source of Spectrum Y-56-429-7c
Wiley ID 1859371